Reaction Details Report a problem with these data
Target
Serine protease 1
Ligand
BDBM50473778
Substrate
n/a
Meas. Tech.
ChEMBL_213235 (CHEMBL821445)
Kd
347±n/a nM
Citation
 Ishchenko, AV; Shakhnovich, EI SMall Molecule Growth 2001 (SMoG2001): an improved knowledge-based scoring function for protein-ligand interactions. J Med Chem 45:2770-80 (2002) [PubMed]  Article 
Target
Name:
Serine protease 1
Synonyms:
Alpha-trypsin chain 1 | Alpha-trypsin chain 2 | Beta-trypsin | Cationic trypsinogen | PRSS1 | Serine protease 1 | TRP1 | TRY1 | TRY1_HUMAN | TRYP1 | Thrombin & trypsin | Trypsin | Trypsin I | Trypsin-1
Type:
Enzyme
Mol. Mass.:
26557.80
Organism:
Homo sapiens (Human)
Description:
P07477
Residue:
247
Sequence:
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVINARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKITSNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIKNTIAANS
  
Inhibitor
Name:
BDBM50473778
Synonyms:
CHEMBL92820
Type:
Small organic molecule
Emp. Form.:
C27H31N5O4S
Mol. Mass.:
521.631
SMILES:
N[C@@H](Cc1ccc(cc1)C(N)=N)C(=O)C1CCCCN1C(=O)[C@@H](N)S(=O)(=O)c1cccc2ccccc12
Structure:
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